iron(3+);N,N,N',N'-tetramethylethane-1,2-diamine

C6H16FeN2+3 — CID 134991486

IUPACiron(3+);N,N,N',N'-tetramethylethane-1,2-diamine
SMILESCN(C)CCN(C)C.[Fe+3]
InChIInChI=1S/C6H16N2.Fe/c1-7(2)5-6-8(3)4;/h5-6H2,1-4H3;/q;+3
InChIKeyJKQMJCISROWUOA-UHFFFAOYSA-N
MW172.05 g/mol
LogP0.11
Rot. Bonds3

About iron(3+);N,N,N',N'-tetramethylethane-1,2-diamine

iron(3+);N,N,N',N'-tetramethylethane-1,2-diamine (PubChem CID 134991486) has the molecular formula C6H16FeN2+3 and a molecular weight of 172.05 g/mol. Its IUPAC name is iron(3+);N,N,N',N'-tetramethylethane-1,2-diamine.

Molecular Properties

Compound Nameiron(3+);N,N,N',N'-tetramethylethane-1,2-diamine
PubChem CID134991486
Molecular FormulaC6H16FeN2+3
Molecular Weight172.05 g/mol
Exact Mass172.06
IUPAC Nameiron(3+);N,N,N',N'-tetramethylethane-1,2-diamine
SMILESCN(C)CCN(C)C.[Fe+3]
InChIInChI=1S/C6H16N2.Fe/c1-7(2)5-6-8(3)4;/h5-6H2,1-4H3;/q;+3
InChIKeyJKQMJCISROWUOA-UHFFFAOYSA-N
XLogP0.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.05
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iron(3+);N,N,N',N'-tetramethylethane-1,2-diamine?
The IUPAC name of iron(3+);N,N,N',N'-tetramethylethane-1,2-diamine (CID 134991486) is iron(3+);N,N,N',N'-tetramethylethane-1,2-diamine.
What is the SMILES notation for iron(3+);N,N,N',N'-tetramethylethane-1,2-diamine?
The canonical SMILES for iron(3+);N,N,N',N'-tetramethylethane-1,2-diamine is CN(C)CCN(C)C.[Fe+3].
What is the InChIKey of iron(3+);N,N,N',N'-tetramethylethane-1,2-diamine?
The InChIKey is JKQMJCISROWUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.Fe/c1-7(2)5-6-8(3)4;/h5-6H2,1-4H3;/q;+3.
What are the key properties of iron(3+);N,N,N',N'-tetramethylethane-1,2-diamine?
iron(3+);N,N,N',N'-tetramethylethane-1,2-diamine has a molecular weight of 172.05 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iron(3+);N,N,N',N'-tetramethylethane-1,2-diamine is sourced from PubChem (CID 134991486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).